Debut Presentation on YouTube!

  • author-thumb
  • Levi Naden
  • April 17, 2019

A YouTube version of QCArchive’s ACS 2019 talk is now available on the MolSSI YouTube channel!

The talk at ACS was a rousing success and we wanted to thank everyone who attended. For those that missed it, or if you want to see the talk again, we have uploaded a re-recording of the talk to MolSSI’s YouTube account. Check it out here:

Here are some links to timestamps of specific topics discussed in the presentation:

  • 0:00:54 - Major Use Cases Discussed
  • 0:02:38 - Access Community Datasets (Use Case 1)
  • 0:03:37 - Jupyter notebook accessing database
  • 0:11:05 - Executing New Compute with High Throughput Pipelines (Use Case 2)
  • 0:17:46 - Jupyter notebook showing TorsionDrive pipeline
  • 0:25:20 - Democratizing AI Data (Use Case 3)
  • 0:27:21 - Jupyter notebook showing highly connected data relations in QCArchive
  • 0:29:44 - Infrastructure - The Open-Source Ecosystem
  • 0:32:09 - Infrastructure - Compute Managers for distributed, computing
  • 0:35:39 - Infrastructure - QCEngine: A quantum chemistry code wrapper
  • 0:40:43 - Thanks, contributors, contacts